6OYG
Crystal structure of H62F mutant of human macrophage migration inhibitory factor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-12-11 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.084, 68.263, 86.966 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.210 - 1.550 |
R-factor | 0.1197 |
Rwork | 0.118 |
R-free | 0.15380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3djh |
RMSD bond length | 0.017 |
RMSD bond angle | 1.751 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.580 |
High resolution limit [Å] | 1.550 | 4.210 | 1.550 |
Rmerge | 0.047 | 0.042 | 0.225 |
Rmeas | 0.050 | 0.044 | 0.255 |
Rpim | 0.016 | 0.012 | 0.118 |
Total number of observations | 410559 | ||
Number of reflections | 59338 | 3214 | 2884 |
<I/σ(I)> | 18.1 | ||
Completeness [%] | 99.7 | 100 | 98.7 |
Redundancy | 6.9 | 13.5 | 4.5 |
CC(1/2) | 0.999 | 0.953 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 2 M ammonium sulfate, 3 % 2-propanol, 0.1 M Tris-HCl, pH 7.5 |